N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C10H16N4O2 — CID 118613840

IUPACN,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCNC(=O)c1nc2c(n1CC)CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-3-11-10(15)9-12-7-5-13(16)6-8(7)14(9)4-2/h16H,3-6H2,1-2H3,(H,11,15)
InChIKeyCLPJNWUHMPUFIF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds3

About N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613840) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613840
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCNC(=O)c1nc2c(n1CC)CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-3-11-10(15)9-12-7-5-13(16)6-8(7)14(9)4-2/h16H,3-6H2,1-2H3,(H,11,15)
InChIKeyCLPJNWUHMPUFIF-UHFFFAOYSA-N
XLogP0.36
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613840) is N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCNC(=O)c1nc2c(n1CC)CN(O)C2.
What is the InChIKey of N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is CLPJNWUHMPUFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-11-10(15)9-12-7-5-13(16)6-8(7)14(9)4-2/h16H,3-6H2,1-2H3,(H,11,15).
What are the key properties of N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).